C22H28N2O2.C4H4O4.1/2H2O
TL;DR: C22H28N2O2.C4H4O4.1/2H2O (CAS 42773-72-8) is a chemical compound with molecular formula C26H32N2O6 and molecular weight 468.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-ethoxy-2-oxo-3-phenylindol-1-yl)ethyl-diethylazanium;(E)-4-hydroxy-4-oxobut-2-enoate
Also Known As: C22H28N2O2.C4H4O4.1/2H2O, C22-H28-N2-O2.C4-H4-O4.1/2H2-O, 2H-Indol-2-one, 1,3-dihydro-1-(2-(diethylamino)ethyl)-3-ethoxy-3-phenyl-, fumarate, hemihydrate (2:2:1), 1,3-Dihydro-1-(2-(diethylamino)ethyl)-3-ethoxy-3-phenyl-2H-indol-2-one fumarate hydrate, 2H-INDOL-2-ONE, 1,3-DIHYDRO-1-(2-(DIETHYLAMINO)ETHYL)-3-ETHOXY-3-PHENYL-, FUMARA
| Molecular Formula | C26H32N2O6 |
|---|---|
| Molecular Weight | 468.23 g/mol |
| LogP | 0.6151 |
| Topological Polar Surface Area | 111.41 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 468.22604 |
| Heavy Atoms | 34 |
| Complexity | 987.3602 |
Chemical Identifiers
| CAS Number | 42773-72-8 |
|---|---|
| SMILES | CC[NH+](CC)CCN1C2=CC=CC=C2C(C1=O)(C3=CC=CC=C3)OCC.C(=C/C(=O)[O-])\C(=O)O |
Product Overview
C22H28N2O2.C4H4O4.1/2H2O (CAS 42773-72-8), with molecular formula C26H32N2O6 and molecular weight 468.23 g/mol. IUPAC: 2-(3-ethoxy-2-oxo-3-phenylindol-1-yl)ethyl-diethylazanium;(E)-4-hydroxy-4-oxobut-2-enoate.
Chemical Property Profile of C22H28N2O2.C4H4O4.1/2H2O
Property Insights of C22H28N2O2.C4H4O4.1/2H2O
The XLogP value of 0.6151 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C22H28N2O2.C4H4O4.1/2H2O. The TPSA of 111.41 Ų falls within the moderate polarity range, balancing permeability and solubility for C22H28N2O2.C4H4O4.1/2H2O. Following Lipinski's Rule of Five, C22H28N2O2.C4H4O4.1/2H2O has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C22H28N2O2.C4H4O4.1/2H2O?
The CAS number of C22H28N2O2.C4H4O4.1/2H2O is 42773-72-8.
What is the molecular formula of C22H28N2O2.C4H4O4.1/2H2O?
The molecular formula of C22H28N2O2.C4H4O4.1/2H2O is C26H32N2O6.
What is the molecular weight of C22H28N2O2.C4H4O4.1/2H2O?
The molecular weight of C22H28N2O2.C4H4O4.1/2H2O is 468.23 g/mol.
Where can I buy C22H28N2O2.C4H4O4.1/2H2O?
You can request a quote for C22H28N2O2.C4H4O4.1/2H2O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C22H28N2O2.C4H4O4.1/2H2O?
Yes, KEHONG BIO provides custom synthesis services for C22H28N2O2.C4H4O4.1/2H2O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.